USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot 180:sc= 0.0509 USER MOD Set 1.2: C 1 LYS N :NH3+ -160:sc= -0.0383 (180deg=-0.422) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.0312 USER MOD Set 2.2: B 1 LYS N :NH3+ -161:sc= -0.0479 (180deg=-0.457) USER MOD Set 3.1: A 1 LYS N :NH3+ -161:sc= -0.144 (180deg=-0.557) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -4.58! C(o=-4.6!,f=-5.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -71:sc= 0.946 USER MOD Single : A 19 SER OG : rot -71:sc= 0.337 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -4.77! C(o=-4.8!,f=-5.3!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -114:sc= 0.84 USER MOD Single : B 19 SER OG : rot -67:sc= 0.377 USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -4.71! C(o=-4.7!,f=-5.7!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -102:sc= 0.792 USER MOD Single : C 19 SER OG : rot -69:sc= 0.381 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.733 6.353 15.485 1.00 0.00 N ATOM 2 CA LYS A 1 -7.753 7.291 15.026 1.00 0.00 C ATOM 3 C LYS A 1 -7.113 8.413 14.228 1.00 0.00 C ATOM 4 O LYS A 1 -7.755 9.420 13.916 1.00 0.00 O ATOM 5 CB LYS A 1 -8.505 7.880 16.221 1.00 0.00 C ATOM 6 CG LYS A 1 -9.303 6.773 16.915 1.00 0.00 C ATOM 7 CD LYS A 1 -10.056 7.358 18.111 1.00 0.00 C ATOM 8 CE LYS A 1 -10.854 6.251 18.803 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.577 6.820 19.975 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.181 5.449 15.738 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.455 6.753 14.389 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.802 8.330 16.921 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.175 8.673 15.888 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.006 6.323 16.214 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.632 5.980 17.247 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.353 7.807 18.813 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.726 8.151 17.780 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.564 5.808 18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.185 5.453 19.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.120 6.068 20.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.890 7.223 20.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.226 7.566 19.654 1.00 0.00 H new ATOM 23 N ASN A 2 -5.837 8.242 13.916 1.00 0.00 N ATOM 24 CA ASN A 2 -5.115 9.262 13.177 1.00 0.00 C ATOM 25 C ASN A 2 -5.682 9.418 11.762 1.00 0.00 C ATOM 26 O ASN A 2 -6.243 8.472 11.206 1.00 0.00 O ATOM 27 CB ASN A 2 -3.626 8.909 13.099 1.00 0.00 C ATOM 28 CG ASN A 2 -3.437 7.614 12.326 1.00 0.00 C ATOM 29 OD1 ASN A 2 -2.305 7.203 12.069 1.00 0.00 O ATOM 30 ND2 ASN A 2 -4.485 6.948 11.928 1.00 0.00 N ATOM 0 H ASN A 2 -5.288 7.418 14.160 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.234 10.207 13.706 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.078 9.716 12.612 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.216 8.805 14.103 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.369 6.082 11.401 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.420 7.293 12.144 1.00 0.00 H new ATOM 37 N PRO A 3 -5.538 10.582 11.162 1.00 0.00 N ATOM 38 CA PRO A 3 -6.041 10.839 9.774 1.00 0.00 C ATOM 39 C PRO A 3 -5.467 9.847 8.756 1.00 0.00 C ATOM 40 O PRO A 3 -6.068 9.595 7.712 1.00 0.00 O ATOM 41 CB PRO A 3 -5.559 12.270 9.469 1.00 0.00 C ATOM 42 CG PRO A 3 -5.347 12.904 10.802 1.00 0.00 C ATOM 43 CD PRO A 3 -4.896 11.787 11.730 1.00 0.00 C ATOM 0 HA PRO A 3 -7.123 10.722 9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.637 12.259 8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.298 12.818 8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.595 13.691 10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.265 13.366 11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.810 11.693 11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.216 11.965 12.757 1.00 0.00 H new ATOM 51 N GLU A 4 -4.298 9.300 9.066 1.00 0.00 N ATOM 52 CA GLU A 4 -3.643 8.355 8.167 1.00 0.00 C ATOM 53 C GLU A 4 -4.510 7.112 7.973 1.00 0.00 C ATOM 54 O GLU A 4 -4.348 6.373 7.000 1.00 0.00 O ATOM 55 CB GLU A 4 -2.287 7.943 8.742 1.00 0.00 C ATOM 56 CG GLU A 4 -1.339 9.143 8.739 1.00 0.00 C ATOM 57 CD GLU A 4 0.003 8.750 9.349 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.131 7.612 9.767 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.882 9.596 9.390 1.00 0.00 O ATOM 0 H GLU A 4 -3.786 9.492 9.927 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.498 8.841 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.411 7.568 9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.863 7.131 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.194 9.499 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.778 9.965 9.304 1.00 0.00 H new ATOM 66 N ALA A 5 -5.434 6.893 8.901 1.00 0.00 N ATOM 67 CA ALA A 5 -6.320 5.736 8.831 1.00 0.00 C ATOM 68 C ALA A 5 -7.109 5.753 7.525 1.00 0.00 C ATOM 69 O ALA A 5 -7.422 4.703 6.961 1.00 0.00 O ATOM 70 CB ALA A 5 -7.288 5.745 10.016 1.00 0.00 C ATOM 0 H ALA A 5 -5.589 7.498 9.707 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.714 4.831 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.945 4.878 9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.723 5.708 10.947 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.886 6.656 9.990 1.00 0.00 H new ATOM 76 N GLU A 6 -7.422 6.947 7.041 1.00 0.00 N ATOM 77 CA GLU A 6 -8.166 7.084 5.796 1.00 0.00 C ATOM 78 C GLU A 6 -7.375 6.478 4.641 1.00 0.00 C ATOM 79 O GLU A 6 -7.949 5.885 3.726 1.00 0.00 O ATOM 80 CB GLU A 6 -8.445 8.562 5.510 1.00 0.00 C ATOM 81 CG GLU A 6 -9.460 9.093 6.522 1.00 0.00 C ATOM 82 CD GLU A 6 -9.678 10.587 6.308 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.532 11.143 6.979 1.00 0.00 O ATOM 84 OE2 GLU A 6 -8.988 11.153 5.477 1.00 0.00 O ATOM 0 H GLU A 6 -7.174 7.830 7.488 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.113 6.554 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.520 9.136 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.829 8.681 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.405 8.560 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.104 8.911 7.536 1.00 0.00 H new ATOM 91 N GLU A 7 -6.057 6.631 4.686 1.00 0.00 N ATOM 92 CA GLU A 7 -5.203 6.094 3.634 1.00 0.00 C ATOM 93 C GLU A 7 -5.327 4.575 3.581 1.00 0.00 C ATOM 94 O GLU A 7 -5.367 3.981 2.505 1.00 0.00 O ATOM 95 CB GLU A 7 -3.742 6.482 3.890 1.00 0.00 C ATOM 96 CG GLU A 7 -2.855 5.939 2.762 1.00 0.00 C ATOM 97 CD GLU A 7 -3.276 6.555 1.433 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.063 5.921 0.412 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.803 7.655 1.457 1.00 0.00 O ATOM 0 H GLU A 7 -5.560 7.118 5.432 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.522 6.513 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.649 7.566 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.412 6.082 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.809 6.170 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.938 4.853 2.713 1.00 0.00 H new ATOM 106 N ILE A 8 -5.388 3.953 4.748 1.00 0.00 N ATOM 107 CA ILE A 8 -5.508 2.497 4.813 1.00 0.00 C ATOM 108 C ILE A 8 -6.806 2.047 4.141 1.00 0.00 C ATOM 109 O ILE A 8 -6.824 1.072 3.390 1.00 0.00 O ATOM 110 CB ILE A 8 -5.479 2.027 6.280 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.031 2.012 6.786 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.076 0.615 6.400 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.444 3.419 6.710 1.00 0.00 C ATOM 0 H ILE A 8 -5.357 4.422 5.654 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.665 2.050 4.285 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.072 2.716 6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.999 1.649 7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.433 1.325 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.049 0.296 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.108 0.626 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.494 -0.079 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.415 3.404 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.462 3.765 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.035 4.094 7.329 1.00 0.00 H new ATOM 125 N THR A 9 -7.885 2.762 4.418 1.00 0.00 N ATOM 126 CA THR A 9 -9.178 2.422 3.838 1.00 0.00 C ATOM 127 C THR A 9 -9.111 2.511 2.314 1.00 0.00 C ATOM 128 O THR A 9 -9.622 1.641 1.606 1.00 0.00 O ATOM 129 CB THR A 9 -10.251 3.376 4.367 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.363 3.226 5.775 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.592 3.052 3.708 1.00 0.00 C ATOM 0 H THR A 9 -7.894 3.574 5.035 1.00 0.00 H new ATOM 0 HA THR A 9 -9.434 1.401 4.121 1.00 0.00 H new ATOM 0 HB THR A 9 -9.973 4.404 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.049 3.838 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.356 3.732 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.504 3.168 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.873 2.025 3.941 1.00 0.00 H new ATOM 139 N ARG A 10 -8.460 3.558 1.822 1.00 0.00 N ATOM 140 CA ARG A 10 -8.313 3.759 0.385 1.00 0.00 C ATOM 141 C ARG A 10 -7.565 2.588 -0.233 1.00 0.00 C ATOM 142 O ARG A 10 -7.842 2.186 -1.364 1.00 0.00 O ATOM 143 CB ARG A 10 -7.571 5.066 0.103 1.00 0.00 C ATOM 144 CG ARG A 10 -7.489 5.286 -1.408 1.00 0.00 C ATOM 145 CD ARG A 10 -6.921 6.677 -1.694 1.00 0.00 C ATOM 146 NE ARG A 10 -5.533 6.770 -1.247 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.858 7.910 -1.350 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.620 7.971 -0.950 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.430 8.966 -1.859 1.00 0.00 N ATOM 0 H ARG A 10 -8.026 4.281 2.396 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.305 3.819 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.089 5.901 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.569 5.028 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.857 4.523 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.479 5.187 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.979 6.886 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.523 7.432 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.076 5.949 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.169 7.144 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.101 8.846 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.397 8.918 -2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.910 9.840 -1.937 1.00 0.00 H new ATOM 163 N CYS A 11 -6.612 2.048 0.510 1.00 0.00 N ATOM 164 CA CYS A 11 -5.831 0.926 0.022 1.00 0.00 C ATOM 165 C CYS A 11 -6.752 -0.192 -0.463 1.00 0.00 C ATOM 166 O CYS A 11 -6.510 -0.794 -1.497 1.00 0.00 O ATOM 167 CB CYS A 11 -4.950 0.385 1.151 1.00 0.00 C ATOM 168 SG CYS A 11 -3.654 -0.673 0.450 1.00 0.00 S ATOM 0 H CYS A 11 -6.363 2.367 1.446 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.211 1.268 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.501 1.210 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.554 -0.182 1.859 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.903 -1.132 1.407 1.00 0.00 H new ATOM 173 N LYS A 12 -7.814 -0.450 0.284 1.00 0.00 N ATOM 174 CA LYS A 12 -8.751 -1.506 -0.087 1.00 0.00 C ATOM 175 C LYS A 12 -9.367 -1.220 -1.452 1.00 0.00 C ATOM 176 O LYS A 12 -9.575 -2.132 -2.253 1.00 0.00 O ATOM 177 CB LYS A 12 -9.856 -1.609 0.965 1.00 0.00 C ATOM 178 CG LYS A 12 -9.274 -2.151 2.272 1.00 0.00 C ATOM 179 CD LYS A 12 -10.384 -2.255 3.322 1.00 0.00 C ATOM 180 CE LYS A 12 -9.805 -2.808 4.625 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.886 -2.906 5.647 1.00 0.00 N ATOM 0 H LYS A 12 -8.050 0.049 1.142 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.209 -2.450 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.304 -0.630 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.650 -2.265 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.825 -3.130 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.481 -1.494 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.827 -1.275 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.181 -2.905 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.364 -3.789 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.007 -2.159 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.493 -3.282 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.287 -1.962 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.633 -3.542 5.302 1.00 0.00 H new ATOM 195 N LYS A 13 -9.652 0.045 -1.709 1.00 0.00 N ATOM 196 CA LYS A 13 -10.244 0.442 -2.979 1.00 0.00 C ATOM 197 C LYS A 13 -9.303 0.094 -4.130 1.00 0.00 C ATOM 198 O LYS A 13 -9.743 -0.328 -5.196 1.00 0.00 O ATOM 199 CB LYS A 13 -10.532 1.944 -2.981 1.00 0.00 C ATOM 200 CG LYS A 13 -11.263 2.324 -4.271 1.00 0.00 C ATOM 201 CD LYS A 13 -11.600 3.816 -4.248 1.00 0.00 C ATOM 202 CE LYS A 13 -12.349 4.191 -5.528 1.00 0.00 C ATOM 203 NZ LYS A 13 -12.690 5.641 -5.495 1.00 0.00 N ATOM 0 H LYS A 13 -9.485 0.813 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.181 -0.099 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.139 2.209 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.600 2.504 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.640 2.095 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.175 1.736 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.211 4.048 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.686 4.405 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.734 3.971 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.257 3.595 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.199 5.898 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.292 5.837 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.817 6.202 -5.427 1.00 0.00 H new ATOM 217 N LEU A 14 -8.005 0.286 -3.912 1.00 0.00 N ATOM 218 CA LEU A 14 -7.026 0.000 -4.957 1.00 0.00 C ATOM 219 C LEU A 14 -7.048 -1.480 -5.326 1.00 0.00 C ATOM 220 O LEU A 14 -7.021 -1.840 -6.508 1.00 0.00 O ATOM 221 CB LEU A 14 -5.625 0.377 -4.454 1.00 0.00 C ATOM 222 CG LEU A 14 -5.510 1.904 -4.328 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.187 2.265 -3.636 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.565 2.565 -5.721 1.00 0.00 C ATOM 0 H LEU A 14 -7.611 0.632 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.277 0.584 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.437 -0.092 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.868 0.002 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.346 2.272 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.107 3.348 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.162 1.817 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.353 1.886 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.482 3.647 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.740 2.197 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.511 2.319 -6.203 1.00 0.00 H new ATOM 236 N LEU A 15 -7.120 -2.337 -4.321 1.00 0.00 N ATOM 237 CA LEU A 15 -7.158 -3.772 -4.579 1.00 0.00 C ATOM 238 C LEU A 15 -8.409 -4.136 -5.361 1.00 0.00 C ATOM 239 O LEU A 15 -8.358 -4.921 -6.301 1.00 0.00 O ATOM 240 CB LEU A 15 -7.115 -4.535 -3.249 1.00 0.00 C ATOM 241 CG LEU A 15 -5.662 -4.635 -2.746 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.851 -5.594 -3.642 1.00 0.00 C ATOM 243 CD2 LEU A 15 -5.009 -3.248 -2.764 1.00 0.00 C ATOM 0 H LEU A 15 -7.153 -2.074 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.290 -4.051 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.731 -4.026 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.533 -5.533 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.672 -5.021 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.826 -5.655 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.305 -6.585 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.848 -5.220 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.982 -3.325 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.012 -2.858 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.569 -2.574 -2.116 1.00 0.00 H new ATOM 255 N ASP A 16 -9.530 -3.551 -4.972 1.00 0.00 N ATOM 256 CA ASP A 16 -10.786 -3.816 -5.657 1.00 0.00 C ATOM 257 C ASP A 16 -10.728 -3.301 -7.094 1.00 0.00 C ATOM 258 O ASP A 16 -11.219 -3.944 -8.024 1.00 0.00 O ATOM 259 CB ASP A 16 -11.937 -3.152 -4.906 1.00 0.00 C ATOM 260 CG ASP A 16 -12.208 -3.896 -3.601 1.00 0.00 C ATOM 261 OD1 ASP A 16 -12.926 -3.360 -2.774 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.696 -4.993 -3.447 1.00 0.00 O ATOM 0 H ASP A 16 -9.597 -2.896 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.952 -4.893 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.692 -2.111 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.833 -3.150 -5.526 1.00 0.00 H new ATOM 267 N ASP A 17 -10.117 -2.133 -7.262 1.00 0.00 N ATOM 268 CA ASP A 17 -9.995 -1.520 -8.577 1.00 0.00 C ATOM 269 C ASP A 17 -9.053 -2.330 -9.454 1.00 0.00 C ATOM 270 O ASP A 17 -8.966 -2.105 -10.662 1.00 0.00 O ATOM 271 CB ASP A 17 -9.482 -0.084 -8.451 1.00 0.00 C ATOM 272 CG ASP A 17 -10.564 0.806 -7.847 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.706 0.377 -7.813 1.00 0.00 O ATOM 274 OD2 ASP A 17 -10.234 1.902 -7.428 1.00 0.00 O ATOM 0 H ASP A 17 -9.699 -1.593 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.982 -1.503 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.590 -0.061 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.193 0.295 -9.431 1.00 0.00 H new ATOM 279 N SER A 18 -8.342 -3.266 -8.842 1.00 0.00 N ATOM 280 CA SER A 18 -7.398 -4.087 -9.589 1.00 0.00 C ATOM 281 C SER A 18 -8.113 -4.836 -10.703 1.00 0.00 C ATOM 282 O SER A 18 -7.510 -5.176 -11.723 1.00 0.00 O ATOM 283 CB SER A 18 -6.734 -5.100 -8.652 1.00 0.00 C ATOM 284 OG SER A 18 -7.698 -6.064 -8.245 1.00 0.00 O ATOM 0 H SER A 18 -8.398 -3.475 -7.845 1.00 0.00 H new ATOM 0 HA SER A 18 -6.641 -3.434 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.903 -5.591 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.321 -4.591 -7.781 1.00 0.00 H new ATOM 0 HG SER A 18 -8.338 -5.647 -7.631 1.00 0.00 H new ATOM 290 N SER A 19 -9.397 -5.082 -10.508 1.00 0.00 N ATOM 291 CA SER A 19 -10.193 -5.789 -11.519 1.00 0.00 C ATOM 292 C SER A 19 -10.726 -4.821 -12.567 1.00 0.00 C ATOM 293 O SER A 19 -11.187 -5.227 -13.632 1.00 0.00 O ATOM 294 CB SER A 19 -11.362 -6.518 -10.857 1.00 0.00 C ATOM 295 OG SER A 19 -12.298 -5.562 -10.377 1.00 0.00 O ATOM 0 H SER A 19 -9.914 -4.810 -9.672 1.00 0.00 H new ATOM 0 HA SER A 19 -9.544 -6.514 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.841 -7.186 -11.572 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.002 -7.136 -10.035 1.00 0.00 H new ATOM 0 HG SER A 19 -11.920 -5.093 -9.604 1.00 0.00 H new ATOM 301 N SER A 20 -10.650 -3.539 -12.252 1.00 0.00 N ATOM 302 CA SER A 20 -11.120 -2.498 -13.167 1.00 0.00 C ATOM 303 C SER A 20 -10.074 -2.205 -14.236 1.00 0.00 C ATOM 304 O SER A 20 -8.874 -2.340 -13.996 1.00 0.00 O ATOM 305 CB SER A 20 -11.440 -1.216 -12.398 1.00 0.00 C ATOM 306 OG SER A 20 -11.867 -0.216 -13.315 1.00 0.00 O ATOM 0 H SER A 20 -10.269 -3.189 -11.373 1.00 0.00 H new ATOM 0 HA SER A 20 -12.026 -2.861 -13.652 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.219 -1.405 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.560 -0.875 -11.853 1.00 0.00 H new ATOM 0 HG SER A 20 -12.075 0.608 -12.827 1.00 0.00 H new ATOM 313 N LYS B 1 -10.533 -1.799 -15.415 1.00 0.00 N ATOM 314 CA LYS B 1 -9.625 -1.486 -16.513 1.00 0.00 C ATOM 315 C LYS B 1 -9.115 -0.062 -16.382 1.00 0.00 C ATOM 316 O LYS B 1 -8.501 0.481 -17.304 1.00 0.00 O ATOM 317 CB LYS B 1 -10.342 -1.653 -17.855 1.00 0.00 C ATOM 318 CG LYS B 1 -10.695 -3.128 -18.060 1.00 0.00 C ATOM 319 CD LYS B 1 -11.404 -3.300 -19.405 1.00 0.00 C ATOM 320 CE LYS B 1 -11.749 -4.776 -19.614 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.442 -4.944 -20.923 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.622 -2.831 -15.322 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.780 -2.173 -16.471 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.246 -1.045 -17.875 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.704 -1.304 -18.667 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.791 -3.737 -18.033 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.338 -3.475 -17.251 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.311 -2.696 -19.430 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.764 -2.947 -20.214 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.842 -5.379 -19.591 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.388 -5.129 -18.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.677 -5.947 -21.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.316 -4.380 -20.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.818 -4.622 -21.690 1.00 0.00 H new ATOM 335 N ASN B 2 -9.392 0.545 -15.239 1.00 0.00 N ATOM 336 CA ASN B 2 -8.978 1.917 -15.011 1.00 0.00 C ATOM 337 C ASN B 2 -7.449 2.027 -14.967 1.00 0.00 C ATOM 338 O ASN B 2 -6.765 1.065 -14.616 1.00 0.00 O ATOM 339 CB ASN B 2 -9.565 2.443 -13.697 1.00 0.00 C ATOM 340 CG ASN B 2 -9.036 1.629 -12.527 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.326 1.939 -11.372 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.261 0.606 -12.758 1.00 0.00 N ATOM 0 H ASN B 2 -9.896 0.114 -14.464 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.351 2.519 -15.839 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.304 3.493 -13.567 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.653 2.387 -13.727 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.893 0.059 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.023 0.353 -13.717 1.00 0.00 H new ATOM 349 N PRO B 3 -6.900 3.177 -15.295 1.00 0.00 N ATOM 350 CA PRO B 3 -5.418 3.398 -15.270 1.00 0.00 C ATOM 351 C PRO B 3 -4.814 3.105 -13.893 1.00 0.00 C ATOM 352 O PRO B 3 -3.630 2.787 -13.776 1.00 0.00 O ATOM 353 CB PRO B 3 -5.265 4.890 -15.622 1.00 0.00 C ATOM 354 CG PRO B 3 -6.513 5.246 -16.353 1.00 0.00 C ATOM 355 CD PRO B 3 -7.612 4.394 -15.741 1.00 0.00 C ATOM 0 HA PRO B 3 -4.896 2.734 -15.959 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.147 5.497 -14.724 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.384 5.061 -16.240 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.738 6.307 -16.248 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.412 5.045 -17.420 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.097 4.903 -14.908 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.390 4.160 -16.468 1.00 0.00 H new ATOM 363 N GLU B 4 -5.636 3.226 -12.856 1.00 0.00 N ATOM 364 CA GLU B 4 -5.173 2.989 -11.494 1.00 0.00 C ATOM 365 C GLU B 4 -4.705 1.551 -11.331 1.00 0.00 C ATOM 366 O GLU B 4 -3.952 1.242 -10.412 1.00 0.00 O ATOM 367 CB GLU B 4 -6.299 3.271 -10.498 1.00 0.00 C ATOM 368 CG GLU B 4 -6.615 4.766 -10.491 1.00 0.00 C ATOM 369 CD GLU B 4 -7.769 5.052 -9.536 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.263 4.110 -8.938 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.142 6.208 -9.417 1.00 0.00 O ATOM 0 H GLU B 4 -6.620 3.485 -12.932 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.337 3.660 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.189 2.702 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -6.005 2.947 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.733 5.331 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.875 5.096 -11.497 1.00 0.00 H new ATOM 378 N ALA B 5 -5.147 0.680 -12.232 1.00 0.00 N ATOM 379 CA ALA B 5 -4.769 -0.730 -12.178 1.00 0.00 C ATOM 380 C ALA B 5 -3.250 -0.877 -12.248 1.00 0.00 C ATOM 381 O ALA B 5 -2.674 -1.793 -11.655 1.00 0.00 O ATOM 382 CB ALA B 5 -5.410 -1.487 -13.343 1.00 0.00 C ATOM 0 H ALA B 5 -5.765 0.923 -13.006 1.00 0.00 H new ATOM 0 HA ALA B 5 -5.123 -1.148 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.123 -2.538 -13.296 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.495 -1.404 -13.278 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.069 -1.060 -14.286 1.00 0.00 H new ATOM 388 N GLU B 6 -2.607 0.029 -12.971 1.00 0.00 N ATOM 389 CA GLU B 6 -1.155 -0.009 -13.105 1.00 0.00 C ATOM 390 C GLU B 6 -0.496 0.152 -11.739 1.00 0.00 C ATOM 391 O GLU B 6 0.540 -0.451 -11.463 1.00 0.00 O ATOM 392 CB GLU B 6 -0.686 1.111 -14.038 1.00 0.00 C ATOM 393 CG GLU B 6 -1.135 0.803 -15.467 1.00 0.00 C ATOM 394 CD GLU B 6 -0.747 1.949 -16.395 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.948 1.812 -17.591 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.258 2.949 -15.896 1.00 0.00 O ATOM 0 H GLU B 6 -3.061 0.794 -13.470 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.868 -0.972 -13.527 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.098 2.066 -13.713 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.399 1.202 -13.998 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.676 -0.124 -15.809 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.214 0.653 -15.493 1.00 0.00 H new ATOM 403 N GLU B 7 -1.101 0.972 -10.887 1.00 0.00 N ATOM 404 CA GLU B 7 -0.558 1.201 -9.554 1.00 0.00 C ATOM 405 C GLU B 7 -0.546 -0.100 -8.754 1.00 0.00 C ATOM 406 O GLU B 7 0.403 -0.384 -8.025 1.00 0.00 O ATOM 407 CB GLU B 7 -1.394 2.254 -8.816 1.00 0.00 C ATOM 408 CG GLU B 7 -0.796 2.510 -7.426 1.00 0.00 C ATOM 409 CD GLU B 7 0.628 3.041 -7.565 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.411 2.837 -6.652 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.913 3.645 -8.586 1.00 0.00 O ATOM 0 H GLU B 7 -1.959 1.484 -11.093 1.00 0.00 H new ATOM 0 HA GLU B 7 0.465 1.563 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.416 3.181 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.425 1.913 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.410 3.228 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.795 1.588 -6.845 1.00 0.00 H new ATOM 418 N ILE B 8 -1.603 -0.887 -8.895 1.00 0.00 N ATOM 419 CA ILE B 8 -1.696 -2.154 -8.179 1.00 0.00 C ATOM 420 C ILE B 8 -0.560 -3.079 -8.606 1.00 0.00 C ATOM 421 O ILE B 8 0.068 -3.732 -7.774 1.00 0.00 O ATOM 422 CB ILE B 8 -3.057 -2.817 -8.462 1.00 0.00 C ATOM 423 CG1 ILE B 8 -4.142 -2.152 -7.605 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.996 -4.317 -8.133 1.00 0.00 C ATOM 425 CD1 ILE B 8 -4.235 -0.668 -7.950 1.00 0.00 C ATOM 0 H ILE B 8 -2.402 -0.675 -9.492 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.611 -1.966 -7.109 1.00 0.00 H new ATOM 0 HB ILE B 8 -3.296 -2.693 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -5.103 -2.636 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.909 -2.275 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.964 -4.774 -8.337 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -2.233 -4.794 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.748 -4.449 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -5.007 -0.200 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.276 -0.188 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.488 -0.555 -9.004 1.00 0.00 H new ATOM 437 N THR B 9 -0.303 -3.129 -9.905 1.00 0.00 N ATOM 438 CA THR B 9 0.757 -3.982 -10.425 1.00 0.00 C ATOM 439 C THR B 9 2.105 -3.564 -9.840 1.00 0.00 C ATOM 440 O THR B 9 2.910 -4.406 -9.442 1.00 0.00 O ATOM 441 CB THR B 9 0.800 -3.887 -11.953 1.00 0.00 C ATOM 442 OG1 THR B 9 -0.435 -4.344 -12.487 1.00 0.00 O ATOM 443 CG2 THR B 9 1.941 -4.751 -12.487 1.00 0.00 C ATOM 0 H THR B 9 -0.808 -2.595 -10.612 1.00 0.00 H new ATOM 0 HA THR B 9 0.553 -5.013 -10.137 1.00 0.00 H new ATOM 0 HB THR B 9 0.964 -2.851 -12.250 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.411 -4.283 -13.465 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.971 -4.683 -13.574 1.00 0.00 H new ATOM 0 HG22 THR B 9 2.887 -4.399 -12.075 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.780 -5.788 -12.193 1.00 0.00 H new ATOM 451 N ARG B 10 2.328 -2.257 -9.776 1.00 0.00 N ATOM 452 CA ARG B 10 3.570 -1.721 -9.231 1.00 0.00 C ATOM 453 C ARG B 10 3.731 -2.153 -7.781 1.00 0.00 C ATOM 454 O ARG B 10 4.844 -2.406 -7.317 1.00 0.00 O ATOM 455 CB ARG B 10 3.582 -0.195 -9.332 1.00 0.00 C ATOM 456 CG ARG B 10 4.921 0.336 -8.819 1.00 0.00 C ATOM 457 CD ARG B 10 5.019 1.835 -9.097 1.00 0.00 C ATOM 458 NE ARG B 10 4.027 2.572 -8.316 1.00 0.00 N ATOM 459 CZ ARG B 10 3.904 3.889 -8.438 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.016 4.527 -7.731 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.675 4.546 -9.263 1.00 0.00 N ATOM 0 H ARG B 10 1.666 -1.549 -10.094 1.00 0.00 H new ATOM 0 HA ARG B 10 4.405 -2.113 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.428 0.114 -10.366 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.763 0.226 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.012 0.148 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.743 -0.189 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.020 2.191 -8.851 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.866 2.024 -10.160 1.00 0.00 H new ATOM 0 HE ARG B 10 3.421 2.068 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.416 4.015 -7.084 1.00 0.00 H new ATOM 0 HH12 ARG B 10 2.921 5.538 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.373 4.048 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.579 5.557 -9.355 1.00 0.00 H new ATOM 475 N CYS B 11 2.618 -2.229 -7.069 1.00 0.00 N ATOM 476 CA CYS B 11 2.652 -2.629 -5.674 1.00 0.00 C ATOM 477 C CYS B 11 3.416 -3.941 -5.516 1.00 0.00 C ATOM 478 O CYS B 11 4.203 -4.095 -4.593 1.00 0.00 O ATOM 479 CB CYS B 11 1.224 -2.821 -5.162 1.00 0.00 C ATOM 480 SG CYS B 11 1.233 -2.864 -3.348 1.00 0.00 S ATOM 0 H CYS B 11 1.688 -2.021 -7.431 1.00 0.00 H new ATOM 0 HA CYS B 11 3.154 -1.850 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.588 -2.009 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.806 -3.747 -5.556 1.00 0.00 H new ATOM 0 HG CYS B 11 0.019 -3.025 -2.912 1.00 0.00 H new ATOM 485 N LYS B 12 3.191 -4.877 -6.426 1.00 0.00 N ATOM 486 CA LYS B 12 3.868 -6.170 -6.355 1.00 0.00 C ATOM 487 C LYS B 12 5.378 -5.987 -6.435 1.00 0.00 C ATOM 488 O LYS B 12 6.135 -6.680 -5.753 1.00 0.00 O ATOM 489 CB LYS B 12 3.394 -7.064 -7.502 1.00 0.00 C ATOM 490 CG LYS B 12 1.933 -7.460 -7.274 1.00 0.00 C ATOM 491 CD LYS B 12 1.459 -8.349 -8.425 1.00 0.00 C ATOM 492 CE LYS B 12 -0.003 -8.740 -8.202 1.00 0.00 C ATOM 493 NZ LYS B 12 -0.467 -9.595 -9.331 1.00 0.00 N ATOM 0 H LYS B 12 2.553 -4.771 -7.215 1.00 0.00 H new ATOM 0 HA LYS B 12 3.624 -6.641 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS B 12 3.495 -6.539 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS B 12 4.018 -7.956 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.832 -7.989 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS B 12 1.309 -6.568 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.564 -7.821 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.080 -9.243 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -0.107 -9.277 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.623 -7.846 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -1.461 -9.861 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.382 -9.068 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.118 -10.454 -9.379 1.00 0.00 H new ATOM 507 N LYS B 13 5.810 -5.052 -7.266 1.00 0.00 N ATOM 508 CA LYS B 13 7.232 -4.784 -7.427 1.00 0.00 C ATOM 509 C LYS B 13 7.836 -4.329 -6.102 1.00 0.00 C ATOM 510 O LYS B 13 8.960 -4.697 -5.765 1.00 0.00 O ATOM 511 CB LYS B 13 7.449 -3.705 -8.491 1.00 0.00 C ATOM 512 CG LYS B 13 8.949 -3.520 -8.733 1.00 0.00 C ATOM 513 CD LYS B 13 9.164 -2.489 -9.843 1.00 0.00 C ATOM 514 CE LYS B 13 10.662 -2.321 -10.102 1.00 0.00 C ATOM 515 NZ LYS B 13 10.869 -1.325 -11.191 1.00 0.00 N ATOM 0 H LYS B 13 5.200 -4.468 -7.838 1.00 0.00 H new ATOM 0 HA LYS B 13 7.724 -5.703 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.953 -3.989 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.004 -2.765 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.438 -3.190 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.403 -4.471 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.661 -2.811 -10.755 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.725 -1.534 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.164 -1.991 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.103 -3.278 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 11.887 -1.210 -11.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.402 -1.658 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.462 -0.411 -10.908 1.00 0.00 H new ATOM 529 N LEU B 14 7.091 -3.519 -5.360 1.00 0.00 N ATOM 530 CA LEU B 14 7.587 -3.015 -4.082 1.00 0.00 C ATOM 531 C LEU B 14 7.838 -4.164 -3.111 1.00 0.00 C ATOM 532 O LEU B 14 8.868 -4.206 -2.428 1.00 0.00 O ATOM 533 CB LEU B 14 6.550 -2.058 -3.479 1.00 0.00 C ATOM 534 CG LEU B 14 6.480 -0.769 -4.315 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.302 0.091 -3.836 1.00 0.00 C ATOM 536 CD2 LEU B 14 7.794 0.030 -4.180 1.00 0.00 C ATOM 0 H LEU B 14 6.156 -3.200 -5.614 1.00 0.00 H new ATOM 0 HA LEU B 14 8.527 -2.490 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.572 -2.538 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.817 -1.820 -2.449 1.00 0.00 H new ATOM 0 HG LEU B 14 6.336 -1.035 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.253 1.004 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.373 -0.467 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.442 0.347 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.730 0.940 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.954 0.293 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.627 -0.578 -4.533 1.00 0.00 H new ATOM 548 N LEU B 15 6.913 -5.107 -3.061 1.00 0.00 N ATOM 549 CA LEU B 15 7.073 -6.250 -2.171 1.00 0.00 C ATOM 550 C LEU B 15 8.294 -7.062 -2.569 1.00 0.00 C ATOM 551 O LEU B 15 9.071 -7.487 -1.720 1.00 0.00 O ATOM 552 CB LEU B 15 5.810 -7.119 -2.219 1.00 0.00 C ATOM 553 CG LEU B 15 4.726 -6.522 -1.301 1.00 0.00 C ATOM 554 CD1 LEU B 15 5.123 -6.690 0.180 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.546 -5.031 -1.613 1.00 0.00 C ATOM 0 H LEU B 15 6.056 -5.108 -3.615 1.00 0.00 H new ATOM 0 HA LEU B 15 7.219 -5.893 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.439 -7.180 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.046 -8.136 -1.904 1.00 0.00 H new ATOM 0 HG LEU B 15 3.789 -7.050 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.347 -6.263 0.815 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.237 -7.750 0.408 1.00 0.00 H new ATOM 0 HD13 LEU B 15 6.066 -6.176 0.364 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.779 -4.613 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.488 -4.508 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.244 -4.911 -2.653 1.00 0.00 H new ATOM 567 N ASP B 16 8.463 -7.263 -3.865 1.00 0.00 N ATOM 568 CA ASP B 16 9.606 -8.016 -4.358 1.00 0.00 C ATOM 569 C ASP B 16 10.904 -7.269 -4.055 1.00 0.00 C ATOM 570 O ASP B 16 11.916 -7.869 -3.685 1.00 0.00 O ATOM 571 CB ASP B 16 9.467 -8.246 -5.861 1.00 0.00 C ATOM 572 CG ASP B 16 8.361 -9.263 -6.133 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.967 -9.389 -7.281 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.921 -9.899 -5.189 1.00 0.00 O ATOM 0 H ASP B 16 7.831 -6.920 -4.589 1.00 0.00 H new ATOM 0 HA ASP B 16 9.637 -8.982 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP B 16 9.239 -7.305 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP B 16 10.411 -8.604 -6.271 1.00 0.00 H new ATOM 579 N ASP B 17 10.858 -5.951 -4.213 1.00 0.00 N ATOM 580 CA ASP B 17 12.023 -5.113 -3.967 1.00 0.00 C ATOM 581 C ASP B 17 12.356 -5.096 -2.482 1.00 0.00 C ATOM 582 O ASP B 17 13.416 -4.618 -2.080 1.00 0.00 O ATOM 583 CB ASP B 17 11.772 -3.687 -4.460 1.00 0.00 C ATOM 584 CG ASP B 17 11.752 -3.659 -5.986 1.00 0.00 C ATOM 585 OD1 ASP B 17 12.175 -4.635 -6.583 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.317 -2.660 -6.533 1.00 0.00 O ATOM 0 H ASP B 17 10.026 -5.441 -4.510 1.00 0.00 H new ATOM 0 HA ASP B 17 12.867 -5.530 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.823 -3.320 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.550 -3.022 -4.086 1.00 0.00 H new ATOM 591 N SER B 18 11.442 -5.612 -1.672 1.00 0.00 N ATOM 592 CA SER B 18 11.653 -5.633 -0.230 1.00 0.00 C ATOM 593 C SER B 18 12.919 -6.404 0.110 1.00 0.00 C ATOM 594 O SER B 18 13.555 -6.155 1.135 1.00 0.00 O ATOM 595 CB SER B 18 10.463 -6.300 0.466 1.00 0.00 C ATOM 596 OG SER B 18 10.457 -7.688 0.160 1.00 0.00 O ATOM 0 H SER B 18 10.559 -6.017 -1.982 1.00 0.00 H new ATOM 0 HA SER B 18 11.752 -4.604 0.115 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.529 -6.154 1.544 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.531 -5.840 0.139 1.00 0.00 H new ATOM 0 HG SER B 18 9.668 -7.900 -0.382 1.00 0.00 H new ATOM 602 N SER B 19 13.283 -7.335 -0.756 1.00 0.00 N ATOM 603 CA SER B 19 14.491 -8.140 -0.537 1.00 0.00 C ATOM 604 C SER B 19 15.726 -7.424 -1.068 1.00 0.00 C ATOM 605 O SER B 19 16.857 -7.789 -0.751 1.00 0.00 O ATOM 606 CB SER B 19 14.353 -9.497 -1.226 1.00 0.00 C ATOM 607 OG SER B 19 14.380 -9.312 -2.635 1.00 0.00 O ATOM 0 H SER B 19 12.772 -7.557 -1.610 1.00 0.00 H new ATOM 0 HA SER B 19 14.607 -8.288 0.537 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.163 -10.158 -0.919 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.420 -9.976 -0.928 1.00 0.00 H new ATOM 0 HG SER B 19 13.574 -8.832 -2.917 1.00 0.00 H new ATOM 613 N SER B 20 15.493 -6.401 -1.870 1.00 0.00 N ATOM 614 CA SER B 20 16.586 -5.618 -2.448 1.00 0.00 C ATOM 615 C SER B 20 17.107 -4.594 -1.445 1.00 0.00 C ATOM 616 O SER B 20 16.349 -4.065 -0.633 1.00 0.00 O ATOM 617 CB SER B 20 16.117 -4.904 -3.717 1.00 0.00 C ATOM 618 OG SER B 20 17.177 -4.098 -4.217 1.00 0.00 O ATOM 0 H SER B 20 14.560 -6.088 -2.140 1.00 0.00 H new ATOM 0 HA SER B 20 17.395 -6.303 -2.701 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.813 -5.633 -4.468 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.245 -4.287 -3.501 1.00 0.00 H new ATOM 0 HG SER B 20 16.883 -3.639 -5.031 1.00 0.00 H new ATOM 625 N LYS C 1 18.404 -4.315 -1.510 1.00 0.00 N ATOM 626 CA LYS C 1 19.013 -3.349 -0.603 1.00 0.00 C ATOM 627 C LYS C 1 18.756 -1.936 -1.095 1.00 0.00 C ATOM 628 O LYS C 1 19.344 -0.972 -0.599 1.00 0.00 O ATOM 629 CB LYS C 1 20.521 -3.593 -0.509 1.00 0.00 C ATOM 630 CG LYS C 1 20.777 -4.941 0.166 1.00 0.00 C ATOM 631 CD LYS C 1 22.284 -5.189 0.259 1.00 0.00 C ATOM 632 CE LYS C 1 22.539 -6.535 0.938 1.00 0.00 C ATOM 633 NZ LYS C 1 24.007 -6.783 1.016 1.00 0.00 N ATOM 0 H3 LYS C 1 18.283 -5.224 -1.019 1.00 0.00 H new ATOM 0 HA LYS C 1 18.568 -3.471 0.385 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.965 -3.582 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.995 -2.793 0.060 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.334 -4.951 1.162 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.301 -5.740 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.726 -5.183 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.761 -4.388 0.825 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.105 -6.538 1.938 1.00 0.00 H new ATOM 0 HE3 LYS C 1 22.054 -7.334 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 24.180 -7.699 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 24.408 -6.798 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.458 -6.026 1.568 1.00 0.00 H new ATOM 647 N ASN C 2 17.887 -1.821 -2.088 1.00 0.00 N ATOM 648 CA ASN C 2 17.582 -0.521 -2.655 1.00 0.00 C ATOM 649 C ASN C 2 16.884 0.375 -1.626 1.00 0.00 C ATOM 650 O ASN C 2 16.218 -0.122 -0.716 1.00 0.00 O ATOM 651 CB ASN C 2 16.687 -0.675 -3.889 1.00 0.00 C ATOM 652 CG ASN C 2 15.355 -1.295 -3.495 1.00 0.00 C ATOM 653 OD1 ASN C 2 14.457 -1.417 -4.327 1.00 0.00 O ATOM 654 ND2 ASN C 2 15.172 -1.686 -2.265 1.00 0.00 N ATOM 0 H ASN C 2 17.387 -2.603 -2.512 1.00 0.00 H new ATOM 0 HA ASN C 2 18.523 -0.054 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.521 0.298 -4.351 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.183 -1.300 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN C 2 14.280 -2.096 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN C 2 15.921 -1.582 -1.580 1.00 0.00 H new ATOM 661 N PRO C 3 17.007 1.678 -1.753 1.00 0.00 N ATOM 662 CA PRO C 3 16.355 2.646 -0.812 1.00 0.00 C ATOM 663 C PRO C 3 14.837 2.445 -0.737 1.00 0.00 C ATOM 664 O PRO C 3 14.203 2.792 0.259 1.00 0.00 O ATOM 665 CB PRO C 3 16.690 4.024 -1.413 1.00 0.00 C ATOM 666 CG PRO C 3 17.905 3.802 -2.249 1.00 0.00 C ATOM 667 CD PRO C 3 17.786 2.386 -2.793 1.00 0.00 C ATOM 0 HA PRO C 3 16.711 2.522 0.211 1.00 0.00 H new ATOM 0 HB2 PRO C 3 15.863 4.403 -2.013 1.00 0.00 H new ATOM 0 HB3 PRO C 3 16.879 4.759 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.959 4.528 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO C 3 18.813 3.918 -1.657 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.277 2.368 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO C 3 18.765 1.930 -2.941 1.00 0.00 H new ATOM 675 N GLU C 4 14.264 1.893 -1.801 1.00 0.00 N ATOM 676 CA GLU C 4 12.824 1.670 -1.853 1.00 0.00 C ATOM 677 C GLU C 4 12.393 0.706 -0.750 1.00 0.00 C ATOM 678 O GLU C 4 11.220 0.660 -0.373 1.00 0.00 O ATOM 679 CB GLU C 4 12.436 1.091 -3.216 1.00 0.00 C ATOM 680 CG GLU C 4 12.669 2.140 -4.304 1.00 0.00 C ATOM 681 CD GLU C 4 12.339 1.554 -5.673 1.00 0.00 C ATOM 682 OE1 GLU C 4 11.984 0.388 -5.727 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.448 2.280 -6.649 1.00 0.00 O ATOM 0 H GLU C 4 14.771 1.593 -2.634 1.00 0.00 H new ATOM 0 HA GLU C 4 12.320 2.625 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.026 0.199 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.389 0.786 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.048 3.016 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.706 2.474 -4.283 1.00 0.00 H new ATOM 690 N ALA C 5 13.351 -0.052 -0.229 1.00 0.00 N ATOM 691 CA ALA C 5 13.065 -1.014 0.830 1.00 0.00 C ATOM 692 C ALA C 5 12.462 -0.303 2.039 1.00 0.00 C ATOM 693 O ALA C 5 11.627 -0.864 2.748 1.00 0.00 O ATOM 694 CB ALA C 5 14.350 -1.735 1.246 1.00 0.00 C ATOM 0 H ALA C 5 14.328 -0.020 -0.520 1.00 0.00 H new ATOM 0 HA ALA C 5 12.350 -1.745 0.453 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.126 -2.451 2.037 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.766 -2.262 0.387 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.074 -1.007 1.611 1.00 0.00 H new ATOM 700 N GLU C 6 12.888 0.933 2.265 1.00 0.00 N ATOM 701 CA GLU C 6 12.377 1.711 3.389 1.00 0.00 C ATOM 702 C GLU C 6 10.872 1.917 3.245 1.00 0.00 C ATOM 703 O GLU C 6 10.138 1.912 4.232 1.00 0.00 O ATOM 704 CB GLU C 6 13.078 3.069 3.446 1.00 0.00 C ATOM 705 CG GLU C 6 14.540 2.872 3.847 1.00 0.00 C ATOM 706 CD GLU C 6 15.272 4.209 3.825 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.431 4.234 4.208 1.00 0.00 O ATOM 708 OE2 GLU C 6 14.665 5.188 3.425 1.00 0.00 O ATOM 0 H GLU C 6 13.580 1.416 1.692 1.00 0.00 H new ATOM 0 HA GLU C 6 12.575 1.165 4.311 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.019 3.561 2.475 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.577 3.719 4.164 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.596 2.434 4.843 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.022 2.173 3.164 1.00 0.00 H new ATOM 715 N GLU C 7 10.419 2.103 2.010 1.00 0.00 N ATOM 716 CA GLU C 7 8.999 2.312 1.755 1.00 0.00 C ATOM 717 C GLU C 7 8.202 1.088 2.192 1.00 0.00 C ATOM 718 O GLU C 7 7.119 1.210 2.761 1.00 0.00 O ATOM 719 CB GLU C 7 8.763 2.576 0.263 1.00 0.00 C ATOM 720 CG GLU C 7 7.268 2.813 0.007 1.00 0.00 C ATOM 721 CD GLU C 7 6.800 4.044 0.778 1.00 0.00 C ATOM 722 OE1 GLU C 7 5.630 4.102 1.118 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.623 4.913 1.015 1.00 0.00 O ATOM 0 H GLU C 7 11.008 2.113 1.177 1.00 0.00 H new ATOM 0 HA GLU C 7 8.666 3.178 2.327 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.338 3.445 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.112 1.728 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.090 2.951 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.694 1.939 0.316 1.00 0.00 H new ATOM 730 N ILE C 8 8.742 -0.089 1.920 1.00 0.00 N ATOM 731 CA ILE C 8 8.059 -1.326 2.294 1.00 0.00 C ATOM 732 C ILE C 8 7.890 -1.392 3.812 1.00 0.00 C ATOM 733 O ILE C 8 6.831 -1.770 4.314 1.00 0.00 O ATOM 734 CB ILE C 8 8.861 -2.543 1.797 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.597 -2.755 0.300 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.451 -3.807 2.571 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.027 -1.518 -0.481 1.00 0.00 C ATOM 0 H ILE C 8 9.637 -0.218 1.449 1.00 0.00 H new ATOM 0 HA ILE C 8 7.073 -1.340 1.829 1.00 0.00 H new ATOM 0 HB ILE C 8 9.922 -2.355 1.962 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.144 -3.629 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.538 -2.952 0.133 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.027 -4.659 2.208 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.647 -3.663 3.633 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.388 -3.997 2.421 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.837 -1.674 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.460 -0.654 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.091 -1.341 -0.325 1.00 0.00 H new ATOM 749 N THR C 9 8.941 -1.029 4.534 1.00 0.00 N ATOM 750 CA THR C 9 8.894 -1.059 5.989 1.00 0.00 C ATOM 751 C THR C 9 7.808 -0.117 6.504 1.00 0.00 C ATOM 752 O THR C 9 7.047 -0.462 7.410 1.00 0.00 O ATOM 753 CB THR C 9 10.253 -0.643 6.559 1.00 0.00 C ATOM 754 OG1 THR C 9 11.245 -1.565 6.130 1.00 0.00 O ATOM 755 CG2 THR C 9 10.186 -0.636 8.086 1.00 0.00 C ATOM 0 H THR C 9 9.828 -0.713 4.141 1.00 0.00 H new ATOM 0 HA THR C 9 8.661 -2.074 6.312 1.00 0.00 H new ATOM 0 HB THR C 9 10.507 0.356 6.205 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.116 -1.300 6.492 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.154 -0.340 8.491 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.424 0.071 8.414 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.933 -1.634 8.444 1.00 0.00 H new ATOM 763 N ARG C 10 7.730 1.063 5.902 1.00 0.00 N ATOM 764 CA ARG C 10 6.733 2.053 6.290 1.00 0.00 C ATOM 765 C ARG C 10 5.334 1.490 6.089 1.00 0.00 C ATOM 766 O ARG C 10 4.417 1.783 6.858 1.00 0.00 O ATOM 767 CB ARG C 10 6.907 3.334 5.470 1.00 0.00 C ATOM 768 CG ARG C 10 5.887 4.374 5.933 1.00 0.00 C ATOM 769 CD ARG C 10 6.175 5.715 5.256 1.00 0.00 C ATOM 770 NE ARG C 10 5.957 5.623 3.814 1.00 0.00 N ATOM 771 CZ ARG C 10 6.198 6.661 3.020 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.993 6.558 1.739 1.00 0.00 N ATOM 773 NH2 ARG C 10 6.634 7.783 3.524 1.00 0.00 N ATOM 0 H ARG C 10 8.345 1.358 5.143 1.00 0.00 H new ATOM 0 HA ARG C 10 6.871 2.293 7.344 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.919 3.722 5.590 1.00 0.00 H new ATOM 0 HB3 ARG C 10 6.771 3.122 4.410 1.00 0.00 H new ATOM 0 HG2 ARG C 10 4.878 4.042 5.689 1.00 0.00 H new ATOM 0 HG3 ARG C 10 5.933 4.485 7.016 1.00 0.00 H new ATOM 0 HD2 ARG C 10 5.531 6.487 5.678 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.204 6.015 5.455 1.00 0.00 H new ATOM 0 HE ARG C 10 5.615 4.750 3.411 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.648 5.682 1.347 1.00 0.00 H new ATOM 0 HH12 ARG C 10 6.177 7.353 1.127 1.00 0.00 H new ATOM 0 HH21 ARG C 10 6.790 7.864 4.529 1.00 0.00 H new ATOM 0 HH22 ARG C 10 6.819 8.579 2.913 1.00 0.00 H new ATOM 787 N CYS C 11 5.174 0.687 5.048 1.00 0.00 N ATOM 788 CA CYS C 11 3.881 0.093 4.758 1.00 0.00 C ATOM 789 C CYS C 11 3.329 -0.610 5.995 1.00 0.00 C ATOM 790 O CYS C 11 2.148 -0.508 6.293 1.00 0.00 O ATOM 791 CB CYS C 11 4.030 -0.927 3.626 1.00 0.00 C ATOM 792 SG CYS C 11 2.395 -1.309 2.939 1.00 0.00 S ATOM 0 H CYS C 11 5.917 0.434 4.396 1.00 0.00 H new ATOM 0 HA CYS C 11 3.192 0.883 4.460 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.680 -0.529 2.847 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.501 -1.836 4.000 1.00 0.00 H new ATOM 0 HG CYS C 11 2.520 -2.174 1.976 1.00 0.00 H new ATOM 797 N LYS C 12 4.191 -1.310 6.718 1.00 0.00 N ATOM 798 CA LYS C 12 3.759 -2.024 7.916 1.00 0.00 C ATOM 799 C LYS C 12 3.184 -1.050 8.939 1.00 0.00 C ATOM 800 O LYS C 12 2.210 -1.360 9.628 1.00 0.00 O ATOM 801 CB LYS C 12 4.943 -2.777 8.525 1.00 0.00 C ATOM 802 CG LYS C 12 5.348 -3.931 7.602 1.00 0.00 C ATOM 803 CD LYS C 12 6.534 -4.680 8.211 1.00 0.00 C ATOM 804 CE LYS C 12 6.933 -5.837 7.292 1.00 0.00 C ATOM 805 NZ LYS C 12 8.093 -6.563 7.884 1.00 0.00 N ATOM 0 H LYS C 12 5.184 -1.400 6.501 1.00 0.00 H new ATOM 0 HA LYS C 12 2.982 -2.736 7.638 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.784 -2.099 8.666 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.675 -3.162 9.509 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.508 -4.611 7.463 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.614 -3.547 6.617 1.00 0.00 H new ATOM 0 HD2 LYS C 12 7.376 -4.001 8.345 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.270 -5.060 9.198 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.092 -6.518 7.161 1.00 0.00 H new ATOM 0 HE3 LYS C 12 7.193 -5.458 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 8.365 -7.350 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 8.895 -5.910 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.829 -6.937 8.818 1.00 0.00 H new ATOM 819 N LYS C 13 3.795 0.121 9.035 1.00 0.00 N ATOM 820 CA LYS C 13 3.342 1.132 9.979 1.00 0.00 C ATOM 821 C LYS C 13 1.914 1.561 9.646 1.00 0.00 C ATOM 822 O LYS C 13 1.101 1.793 10.540 1.00 0.00 O ATOM 823 CB LYS C 13 4.268 2.348 9.936 1.00 0.00 C ATOM 824 CG LYS C 13 3.855 3.346 11.021 1.00 0.00 C ATOM 825 CD LYS C 13 4.816 4.536 11.012 1.00 0.00 C ATOM 826 CE LYS C 13 4.417 5.524 12.110 1.00 0.00 C ATOM 827 NZ LYS C 13 5.362 6.677 12.108 1.00 0.00 N ATOM 0 H LYS C 13 4.602 0.394 8.474 1.00 0.00 H new ATOM 0 HA LYS C 13 3.362 0.705 10.981 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.301 2.036 10.088 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.219 2.821 8.955 1.00 0.00 H new ATOM 0 HG2 LYS C 13 2.835 3.688 10.847 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.867 2.863 11.998 1.00 0.00 H new ATOM 0 HD2 LYS C 13 5.838 4.193 11.171 1.00 0.00 H new ATOM 0 HD3 LYS C 13 4.793 5.028 10.040 1.00 0.00 H new ATOM 0 HE2 LYS C 13 3.398 5.875 11.946 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.431 5.030 13.081 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.091 7.349 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 6.328 6.334 12.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 5.327 7.153 11.184 1.00 0.00 H new ATOM 841 N LEU C 14 1.617 1.676 8.355 1.00 0.00 N ATOM 842 CA LEU C 14 0.283 2.095 7.932 1.00 0.00 C ATOM 843 C LEU C 14 -0.767 1.090 8.391 1.00 0.00 C ATOM 844 O LEU C 14 -1.830 1.467 8.898 1.00 0.00 O ATOM 845 CB LEU C 14 0.246 2.206 6.401 1.00 0.00 C ATOM 846 CG LEU C 14 1.100 3.399 5.945 1.00 0.00 C ATOM 847 CD1 LEU C 14 1.233 3.381 4.415 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.450 4.728 6.393 1.00 0.00 C ATOM 0 H LEU C 14 2.270 1.489 7.594 1.00 0.00 H new ATOM 0 HA LEU C 14 0.061 3.063 8.382 1.00 0.00 H new ATOM 0 HB2 LEU C 14 0.620 1.286 5.951 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.782 2.332 6.061 1.00 0.00 H new ATOM 0 HG LEU C 14 2.088 3.320 6.400 1.00 0.00 H new ATOM 0 HD11 LEU C 14 1.839 4.228 4.092 1.00 0.00 H new ATOM 0 HD12 LEU C 14 1.711 2.453 4.102 1.00 0.00 H new ATOM 0 HD13 LEU C 14 0.244 3.450 3.963 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.066 5.564 6.063 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.544 4.814 5.953 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.368 4.745 7.480 1.00 0.00 H new ATOM 860 N LEU C 15 -0.465 -0.190 8.239 1.00 0.00 N ATOM 861 CA LEU C 15 -1.401 -1.223 8.664 1.00 0.00 C ATOM 862 C LEU C 15 -1.621 -1.156 10.166 1.00 0.00 C ATOM 863 O LEU C 15 -2.744 -1.262 10.642 1.00 0.00 O ATOM 864 CB LEU C 15 -0.863 -2.602 8.262 1.00 0.00 C ATOM 865 CG LEU C 15 -1.187 -2.881 6.782 1.00 0.00 C ATOM 866 CD1 LEU C 15 -2.702 -3.105 6.597 1.00 0.00 C ATOM 867 CD2 LEU C 15 -0.741 -1.695 5.921 1.00 0.00 C ATOM 0 H LEU C 15 0.404 -0.536 7.832 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.360 -1.058 8.173 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.215 -2.642 8.421 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.307 -3.373 8.892 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.654 -3.780 6.473 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.915 -3.301 5.546 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.020 -3.958 7.197 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.243 -2.215 6.917 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -0.972 -1.897 4.875 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -1.266 -0.795 6.241 1.00 0.00 H new ATOM 0 HD23 LEU C 15 0.333 -1.548 6.033 1.00 0.00 H new ATOM 879 N ASP C 16 -0.542 -0.967 10.906 1.00 0.00 N ATOM 880 CA ASP C 16 -0.641 -0.873 12.354 1.00 0.00 C ATOM 881 C ASP C 16 -1.434 0.369 12.756 1.00 0.00 C ATOM 882 O ASP C 16 -2.240 0.341 13.690 1.00 0.00 O ATOM 883 CB ASP C 16 0.758 -0.827 12.968 1.00 0.00 C ATOM 884 CG ASP C 16 1.419 -2.199 12.866 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.616 -2.277 13.092 1.00 0.00 O ATOM 886 OD2 ASP C 16 0.721 -3.154 12.564 1.00 0.00 O ATOM 0 H ASP C 16 0.404 -0.876 10.534 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.165 -1.753 12.728 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.365 -0.083 12.453 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.696 -0.521 14.012 1.00 0.00 H new ATOM 891 N ASP C 17 -1.198 1.460 12.035 1.00 0.00 N ATOM 892 CA ASP C 17 -1.877 2.717 12.313 1.00 0.00 C ATOM 893 C ASP C 17 -3.354 2.608 11.963 1.00 0.00 C ATOM 894 O ASP C 17 -4.149 3.483 12.303 1.00 0.00 O ATOM 895 CB ASP C 17 -1.235 3.859 11.522 1.00 0.00 C ATOM 896 CG ASP C 17 0.149 4.167 12.087 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.446 3.685 13.168 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.888 4.882 11.433 1.00 0.00 O ATOM 0 H ASP C 17 -0.542 1.498 11.255 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.781 2.932 13.377 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.155 3.585 10.470 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.864 4.747 11.573 1.00 0.00 H new ATOM 903 N SER C 18 -3.714 1.533 11.274 1.00 0.00 N ATOM 904 CA SER C 18 -5.102 1.337 10.876 1.00 0.00 C ATOM 905 C SER C 18 -6.005 1.314 12.100 1.00 0.00 C ATOM 906 O SER C 18 -7.189 1.641 12.017 1.00 0.00 O ATOM 907 CB SER C 18 -5.249 0.013 10.119 1.00 0.00 C ATOM 908 OG SER C 18 -5.038 -1.066 11.021 1.00 0.00 O ATOM 0 H SER C 18 -3.075 0.793 10.983 1.00 0.00 H new ATOM 0 HA SER C 18 -5.394 2.164 10.228 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.242 -0.057 9.674 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.530 -0.034 9.302 1.00 0.00 H new ATOM 0 HG SER C 18 -4.139 -1.433 10.888 1.00 0.00 H new ATOM 914 N SER C 19 -5.438 0.932 13.232 1.00 0.00 N ATOM 915 CA SER C 19 -6.207 0.879 14.481 1.00 0.00 C ATOM 916 C SER C 19 -6.219 2.238 15.170 1.00 0.00 C ATOM 917 O SER C 19 -7.018 2.486 16.073 1.00 0.00 O ATOM 918 CB SER C 19 -5.611 -0.164 15.426 1.00 0.00 C ATOM 919 OG SER C 19 -4.342 0.288 15.882 1.00 0.00 O ATOM 0 H SER C 19 -4.460 0.655 13.321 1.00 0.00 H new ATOM 0 HA SER C 19 -7.231 0.601 14.233 1.00 0.00 H new ATOM 0 HB2 SER C 19 -6.278 -0.328 16.273 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.507 -1.120 14.913 1.00 0.00 H new ATOM 0 HG SER C 19 -3.706 0.283 15.137 1.00 0.00 H new ATOM 925 N SER C 20 -5.331 3.111 14.729 1.00 0.00 N ATOM 926 CA SER C 20 -5.233 4.456 15.294 1.00 0.00 C ATOM 927 C SER C 20 -6.302 5.368 14.704 1.00 0.00 C ATOM 928 O SER C 20 -6.726 5.185 13.563 1.00 0.00 O ATOM 929 CB SER C 20 -3.848 5.048 15.027 1.00 0.00 C ATOM 930 OG SER C 20 -3.797 6.370 15.550 1.00 0.00 O ATOM 0 H SER C 20 -4.665 2.918 13.981 1.00 0.00 H new ATOM 0 HA SER C 20 -5.388 4.382 16.370 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.079 4.430 15.491 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.644 5.059 13.956 1.00 0.00 H new ATOM 0 HG SER C 20 -2.911 6.754 15.383 1.00 0.00 H new